3-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazine-2-carbonitrile

C12H16N4O — CID 62685715

IUPAC3-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CCCCC1CCO
InChIInChI=1S/C12H16N4O/c13-9-11-12(15-6-5-14-11)16-7-2-1-3-10(16)4-8-17/h5-6,10,17H,1-4,7-8H2
InChIKeyBHUKPGYJVQMXFU-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.09
Rot. Bonds3

About 3-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazine-2-carbonitrile

3-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazine-2-carbonitrile (PubChem CID 62685715) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 3-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazine-2-carbonitrile
PubChem CID62685715
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name3-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CCCCC1CCO
InChIInChI=1S/C12H16N4O/c13-9-11-12(15-6-5-14-11)16-7-2-1-3-10(16)4-8-17/h5-6,10,17H,1-4,7-8H2
InChIKeyBHUKPGYJVQMXFU-UHFFFAOYSA-N
XLogP1.09
TPSA73.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 3-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazine-2-carbonitrile (CID 62685715) is 3-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazine-2-carbonitrile is N#Cc1nccnc1N1CCCCC1CCO.
What is the InChIKey of 3-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is BHUKPGYJVQMXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c13-9-11-12(15-6-5-14-11)16-7-2-1-3-10(16)4-8-17/h5-6,10,17H,1-4,7-8H2.
What are the key properties of 3-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazine-2-carbonitrile?
3-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 232.29 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 62685715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).